2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride

C11H15Cl2IN2O — CID 119506272

IUPAC2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(I)cc1Cl.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyKJJQQQJBLVQFLB-UHFFFAOYSA-N
MW389.06 g/mol
LogP2.71
Rot. Bonds5

About 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride

2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride (PubChem CID 119506272) has the molecular formula C11H15Cl2IN2O and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
PubChem CID119506272
Molecular FormulaC11H15Cl2IN2O
Molecular Weight389.06 g/mol
Exact Mass387.96
IUPAC Name2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(I)cc1Cl.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyKJJQQQJBLVQFLB-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
CID 119406253
N-(3-aminobutyl)-2-chloro-4-iodobenzamide
CID 119496465
2-[(2-chloro-4-iodobenzoyl)amino]ethanesulfonic acid
CID 159492344
2,4-dichloro-N-[2-(ethylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119506464
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride (CID 119506272) is 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride is CCNCCNC(=O)c1ccc(I)cc1Cl.Cl.
What is the InChIKey of 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride?
The InChIKey is KJJQQQJBLVQFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H.
What are the key properties of 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride?
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride has a molecular weight of 389.06 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride is sourced from PubChem (CID 119506272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).